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NCID-ZINC01669668

 MMsINC code: MMs02305719
Type: Neutral
Formula: C6H8N2O3S
SMILES:   S(O)(=O)(=O)c1ccccc1NN
InChI:   InChI=1/C6H8N2O3S/c7-8-5-3-1-2-4-6(5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)

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Potential Energy
Epot(MMFF94)=37.7069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.207 g/mol  logS: -1.13576  SlogP: -0.3468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.048297  Sterimol/B1: 2.40931  Sterimol/B2: 2.93799  Sterimol/B3: 3.43285
  Sterimol/B4: 6.36694  Sterimol/L: 9.56023 
 
 Surface and Volume Properties
  Accessible surface: 343.835  Positive charged surface: 169.419  Negative charged surface: 174.416  Volume: 149.125
  Hydrophobic surface: 152.254  Hydrophilic surface: 191.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02305720
NCID-ZINC01669668